butyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: butyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: butyl 2-cyano-2-[3-(1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetic acid butyl ester IUPAC Name: butyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate Traditional Name: 2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid butyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

Isomeric SMILES

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

InChI

InChI=1S/C20H24N4O2/c1-2-3-13-26-20(25)15(14-21)18-19(24-11-7-4-8-12-24)23-17-10-6-5-9-16(17)22-18/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3